1NCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ncn by Molmil](/molmil-images/mine/1ncn) | |
3MI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mi7 by Molmil](/molmil-images/mine/3mi7) | An Enhanced Repressor of Human Papillomavirus E2 Protein | Descriptor: | 1,2-ETHANEDIOL, Regulatory protein E2 | Authors: | Bohm, A, Baleja, J, Bose, K, Meinke, G. | Deposit date: | 2010-04-09 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and characterization of an enhanced repressor of human papillomavirus E2 protein. Faseb J., 25, 2011
|
|
1NDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ndg by Molmil](/molmil-images/mine/1ndg) | Crystal structure of Fab fragment of antibody HyHEL-8 complexed with its antigen lysozyme | Descriptor: | ACETIC ACID, Lysozyme C, antibody kappa light chain, ... | Authors: | Mariuzza, R.A, Li, Y, Li, H, Yang, F, Smith-Gill, S.J. | Deposit date: | 2002-12-09 | Release date: | 2003-06-03 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray snapshots of the maturation of an antibody response to a protein antigen Nat.Struct.Biol., 10, 2003
|
|
6CQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cq5 by Molmil](/molmil-images/mine/6cq5) | TBK1 in Complex with Sulfone Analog of Amlexanox | Descriptor: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
|
|
4LHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lhb by Molmil](/molmil-images/mine/4lhb) | |
4NBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nbn by Molmil](/molmil-images/mine/4nbn) | |
4N5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n5d by Molmil](/molmil-images/mine/4n5d) | Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ... | Authors: | Murray, J.M, Steffek, M. | Deposit date: | 2013-10-09 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
|
|
6CQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cq4 by Molmil](/molmil-images/mine/6cq4) | TBK1 in Complex with Cyclohexyl Analog of Amlexanox | Descriptor: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
|
|
3RMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rmz by Molmil](/molmil-images/mine/3rmz) | |
4COO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4coo by Molmil](/molmil-images/mine/4coo) | Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-01-29 | Release date: | 2014-03-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation. J.Biol.Chem., 289, 2014
|
|
6BNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bny by Molmil](/molmil-images/mine/6bny) | TBK1 in complex with tetrazole analog of amlexanox | Descriptor: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-17 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.341 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
|
|
2WKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wkt by Molmil](/molmil-images/mine/2wkt) | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316A MUTANT WITH COENZYME A. | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ... | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | Deposit date: | 2009-06-18 | Release date: | 2009-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation. Biochemistry, 48, 2009
|
|
3RV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rv3 by Molmil](/molmil-images/mine/3rv3) | |
3FSR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fsr by Molmil](/molmil-images/mine/3fsr) | Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NADP-dependent alcohol dehydrogenase, ... | Authors: | Frolow, F, Greenblatt, H, Goihberg, E, Burstein, Y. | Deposit date: | 2009-01-11 | Release date: | 2010-01-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms Biochemistry, 49, 2010
|
|
4R9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r9h by Molmil](/molmil-images/mine/4r9h) | |
4EP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ep5 by Molmil](/molmil-images/mine/4ep5) | Thermus thermophilus RuvC structure | Descriptor: | Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, SULFATE ION | Authors: | Chen, L, Shi, K, Yin, Z.Q, Aihara, H. | Deposit date: | 2012-04-17 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution. Nucleic Acids Res., 41, 2013
|
|
6CQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cq0 by Molmil](/molmil-images/mine/6cq0) | TBK1 in Complex with Dimethyl Amino Analog of Amlexanox | Descriptor: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
|
|
3FTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ftn by Molmil](/molmil-images/mine/3ftn) | Q165E/S254K Double Mutant Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Frolow, F, Goihberg, E, Shimon, L, Burstein, Y. | Deposit date: | 2009-01-13 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.192 Å) | Cite: | Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms. Biochemistry, 49, 2010
|
|
1NH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nh9 by Molmil](/molmil-images/mine/1nh9) | Crystal Structure of a DNA Binding Protein Mja10b from the hyperthermophile Methanococcus jannaschii | Descriptor: | DNA-binding protein Alba | Authors: | Wang, G, Bartlam, M, Guo, R, Yang, H, Xue, H, Liu, Y, Huang, L, Rao, Z. | Deposit date: | 2002-12-19 | Release date: | 2003-12-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a DNA binding protein from the hyperthermophilic euryarchaeon Methanococcus jannaschii Protein Sci., 12, 2003
|
|
2CG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cg8 by Molmil](/molmil-images/mine/2cg8) | The bifunctional dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase from Streptococcus pneumoniae | Descriptor: | DIHYDRONEOPTERIN ALDOLASE 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN SYNTHASE | Authors: | Garcon, A, Levy, C, Derrick, J.P. | Deposit date: | 2006-02-28 | Release date: | 2006-06-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Bifunctional Dihydroneopterin Aldolase/6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Streptococcus Pneumoniae. J.Mol.Biol., 360, 2006
|
|
4RAH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rah by Molmil](/molmil-images/mine/4rah) | |
1NDM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ndm by Molmil](/molmil-images/mine/1ndm) | |
3MFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mfc by Molmil](/molmil-images/mine/3mfc) | Computationally designed end0-1,4-beta,xylanase | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | Authors: | Morin, A, Harp, J.M. | Deposit date: | 2010-04-01 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site. Protein Eng.Des.Sel., 24, 2011
|
|
3MF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mf6 by Molmil](/molmil-images/mine/3mf6) | Computationally designed endo-1,4-beta-xylanase | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | Authors: | Morin, A, Harp, J.M. | Deposit date: | 2010-04-01 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site. Protein Eng.Des.Sel., 24, 2011
|
|
3PCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pcx by Molmil](/molmil-images/mine/3pcx) | Caspase-3 E246A, K242A Double Mutant | Descriptor: | Caspase-3, Inhibitor Ac-DEVD-CMK | Authors: | Walters, J, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2010-10-22 | Release date: | 2011-02-23 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
|
|